************************************************************************** * compute nitrate yield * * * * Expression used to compute the nitrate yield is the one provided by * * Carter, 1999 for the SAPRC99 scheme. Nitrate yield is the expression * * for unsubstitued secondary RO2. For substitued RO2 and for primary and * * tertiary RO2, the carbon number is an effective carbon number (which * * is defined in the calling program). * * INPUT : * * xc : number of "effective" carbon * * itype : type of peroxy radical (not used in the current version) * * tflg : flag, if equal 1 use standart condition, * * if equal 0 use pressure and temperature given * * in input * * temp : temperature * * tbm : third boby concentration (M) * * * * Update of the DATA (feb 2015) on the basis of Arey 2001 : * * J. Phys. Chem. A 2001, 105, 1020-1027 * * Janet Arey, Sara M. Aschmann, Eric S. C. Kwok, and Roger Atkinson * * * ************************************************************************** REAL FUNCTION nityield(xc,itype,tflg,temp,tbm) IMPLICIT NONE * input REAL xc INTEGER itype INTEGER tflg REAL temp, tbm * internal REAL f, alpha, beta, r_inf, xm_0, xm_inf REAL r0,ri,z,rapk REAL t,xm DATA f /0.410/, alpha /2E-22/, beta /1/, r_inf /0.430/ DATA xm_0 /0/, xm_inf /8/ nityield = 0. IF (tflg.EQ.1) THEN xm = 2.46E+19 t = 298. ELSE t = temp xm =tbm ENDIF * compute nitrate yield r0=alpha*exp(beta*xc)*(t/300.)**(-xm_0) ri=r_inf*(t/300.)**(-xm_inf) Z=1.+(log10(r0*xm/ri))**2. Z=1./Z rapk=( (r0*xm)/(1.+(r0*xm/ri)) )*(F**Z) nityield = rapk/(1+rapk) RETURN END